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Merck
CN

425117

Ethyl 2-butynoate

98%

Synonym(s):

Ethyl tetrolate

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About This Item

Linear Formula:
CH3C≡CC(O)OCH2CH3
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-395-6
Beilstein/REAXYS Number:
1744948
MDL number:
Assay:
98%
Form:
liquid
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Quality Segment

assay

98%

form

liquid

refractive index

n20/D 1.436 (lit.)

bp

160-161 °C/730 mmHg (lit.)

density

0.962 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CCOC(=O)C#CC

InChI

1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3

InChI key

FCJJZKCJURDYNF-UHFFFAOYSA-N

General description

Ethyl 2-butynoate, a 2-alkynoate is a methanogenesis inhibitor. It is an electron deficient internal alkyne that has been reported to undergo codimerization with alkenes to form 1,3-dienes catalyzed by rhodium(I)/H8-BINAP complex. The annulation of thioamides with ethyl 2-butynoate catalyzed by tri-n-butylphosphine to form thiazolines has been investigated.

Application

Ethyl 2-butynoate was used in the study of its effect on in vitro degradation and microbial biomass production.
It may be used in the synthesis of the following:
  • 3-ethyl, 1-methyl 1-(2-nitrophenyl)-cyclopent-3-ene-1,3-dicarboxylate
  • tricyclic aziridine derivatives
  • alkenylsilanols


signalword

Warning

target_organs

Respiratory system

wgk

WGK 3

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

pictograms

FlameExclamation mark

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Storage Class

3 - Flammable liquids

flash_point_f

134.6 °F

flash_point_c

57 °C



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